2-[2-oxidanyl-3-(propylamino)propyl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-oxidanyl-3-(propylamino)propyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-hydroxy-3-(propylamino)propyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[2-hydroxy-3-(propylamino)propyl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-hydroxy-3-(propylamino)propyl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-hydroxy-3-(propylamino)propyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C13H23N3O2S MolecularWeight: 285.40562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(CNCCC)O

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(CNCCC)O

InChI

InChI=1S/C13H23N3O2S/c1-3-5-10-7-12(18)16-13(15-10)19-9-11(17)8-14-6-4-2/h7,11,14,17H,3-6,8-9H2,1-2H3,(H,15,16,18)